30EH

2-heptyl-4(1H)-quinolone synthase PqsBC in complex with compound 35

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G (A, C, E, G)	PqsC	polymer	365	40321.8	4	UniProt (Q9I4X1)	Pseudomonas aeruginosa PAO1
2	B, D, F, H (B, D, F, H)	2-heptyl-4(1H)-quinolone synthase subunit PqsB	polymer	283	30531.8	4	UniProt (Q9I4X2)	Pseudomonas aeruginosa PAO1
3	I, K, M, N (A, C, E, G)	~{N}-[4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-yl]-~{N}-prop-2-enyl-2-sulfanyl-ethanamide	non-polymer		326.4	4	Chemie (A1J61)
4	J, L (A, C)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL) PubChem (312)
5	O, P, Q, R, S... (A, B, C, D, E...)	water	water		18.0	835	Chemie (HOH)

Sequence modifications

A, C, E, G: 1 - 348 (UniProt: Q9I4X1)

PDB	External Database	Details
Met -16	-	initiating methionine
Gly -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ala -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Ala 129	Cys 129	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	283414.1
Non-Polymers*	Number of molecules	6
	Total formula weight	1376.4
All*	Total formula weight	284790.6

*Water molecules are not included.